7-(2-chloranyl-6-methyl-phenyl)sulfonyl-1-piperazin-1-yl-isoquinoline hydrochloride

Systemtic Name: 7-(2-chloranyl-6-methyl-phenyl)sulfonyl-1-piperazin-1-yl-isoquinoline hydrochloride Openeye Name: 7-(2-chloro-6-methyl-phenyl)sulfonyl-1-piperazin-1-yl-isoquinoline hydrochloride CAS Name: 7-(2-chloro-6-methylphenyl)sulfonyl-1-(1-piperazinyl)isoquinoline hydrochloride IUPAC Name: 7-(2-chloro-6-methylphenyl)sulfonyl-1-piperazin-1-ylisoquinoline hydrochloride Traditional Name: 7-(2-chloro-6-methyl-phenyl)sulfonyl-1-piperazino-isoquinoline hydrochloride Formula: C20H21Cl2N3O2S MolecularWeight: 438.37064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)S(=O)(=O)C2=CC3=C(C=C2)C=CN=C3N4CCNCC4.Cl

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)S(=O)(=O)C2=CC3=C(C=C2)C=CN=C3N4CCNCC4.Cl

InChI

InChI=1S/C20H20ClN3O2S.ClH/c1-14-3-2-4-18(21)19(14)27(25,26)16-6-5-15-7-8-23-20(17(15)13-16)24-11-9-22-10-12-24;/h2-8,13,22H,9-12H2,1H3;1H